1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone

C17H15NO3 — CID 3161158

IUPAC1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H15NO3/c1-20-12-6-8-13(9-7-12)21-11-17(19)15-10-18-16-5-3-2-4-14(15)16/h2-10,18H,11H2,1H3
InChIKeyUBLNVHWDNXYGDM-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.44
Rot. Bonds5

About 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone

1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone (PubChem CID 3161158) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone
PubChem CID3161158
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone
SMILESCOc1ccc(OCC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C17H15NO3/c1-20-12-6-8-13(9-7-12)21-11-17(19)15-10-18-16-5-3-2-4-14(15)16/h2-10,18H,11H2,1H3
InChIKeyUBLNVHWDNXYGDM-UHFFFAOYSA-N
XLogP3.44
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 250
CID 44397540
Jwh 302
CID 11493740
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
CID 211017
1-[3-(4-Decoxyphenoxy)-2-oxopropyl]-3-methoxycarbonylindole-5-carboxylic acid
CID 11670893
Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-
CID 214011
4-(benzyloxy)-1H-indole-3-carbaldehyde
CID 7015846
5-Methoxyindole-3-carbaldehyde
CID 82758
5-(phenylmethoxy)-1H-indole-3-carbaldehyde
CID 81398
6-(benzyloxy)-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
CID 11669478
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone (CID 3161158) is 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone is COc1ccc(OCC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone?
The InChIKey is UBLNVHWDNXYGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-12-6-8-13(9-7-12)21-11-17(19)15-10-18-16-5-3-2-4-14(15)16/h2-10,18H,11H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone?
1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone has a molecular weight of 281.31 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(4-methoxyphenoxy)ethanone is sourced from PubChem (CID 3161158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).